UCSF

ZINC13718967

Substance Information

In ZINC since Heavy atoms Benign functionality
June 23rd, 2008 20 No

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -0.37 -4.71 -12.72 5 9 0 140 285.235 2

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0977767A1; US6127533; WO1998035978A1; WO2000008042A1; WO2000008214A1 IBM Patent Data

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )